4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

C22H16ClFN8O — CID 90383197

IUPAC4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncc(Cl)c(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C22H16ClFN8O/c1-12-25-10-15(23)19(27-12)14-9-26-31(2)20(14)22(33)28-17-8-18-29-21(13-6-4-3-5-7-13)30-32(18)11-16(17)24/h3-11H,1-2H3,(H,28,33)
InChIKeyJZPSOKHAAAITFM-UHFFFAOYSA-N
MW462.88 g/mol
LogP3.94
Rot. Bonds4

About 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383197) has the molecular formula C22H16ClFN8O and a molecular weight of 462.88 g/mol. Its IUPAC name is 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383197
Molecular FormulaC22H16ClFN8O
Molecular Weight462.88 g/mol
Exact Mass462.11
IUPAC Name4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1ncc(Cl)c(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1
InChIInChI=1S/C22H16ClFN8O/c1-12-25-10-15(23)19(27-12)14-9-26-31(2)20(14)22(33)28-17-8-18-29-21(13-6-4-3-5-7-13)30-32(18)11-16(17)24/h3-11H,1-2H3,(H,28,33)
InChIKeyJZPSOKHAAAITFM-UHFFFAOYSA-N
XLogP3.94
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(6-methylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 90383190
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(5-methylpyridazin-3-yl)pyrazole-5-carboxamide
CID 90383230
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxamide
CID 90383377
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(5-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 144691301
[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol
CID 144691273
N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-methoxypyrazin-2-yl)-1H-pyrazole-5-carboxamide
CID 144691472
2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone
CID 157386298
1-[4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone
CID 159644851
6-fluoro-7-iodo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxamide;nonahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107-tetrapentacontayne
CID 159094717
1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone
CID 158648363
1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(3-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone
CID 162018748
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 90383197) is 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)Nc2cc3nc(-c4ccccc4)nn3cc2F)n1.
What is the InChIKey of 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JZPSOKHAAAITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN8O/c1-12-25-10-15(23)19(27-12)14-9-26-31(2)20(14)22(33)28-17-8-18-29-21(13-6-4-3-5-7-13)30-32(18)11-16(17)24/h3-11H,1-2H3,(H,28,33).
What are the key properties of 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 462.88 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylpyrimidin-4-yl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).